SCHEMBL4170782

SCHEMBL4170782

N=C(N)Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 10/20 0.59
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 5/20 0.59
GAA P10253 5/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 9/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
TP53 P04637 4/20 0.55
PKM P14618 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4166259 0.98 MAPT (0.61) GFERCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL1592539 0.84 MAPT (0.58) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL2233880 0.82 RAB9A (0.57) GFERMAPTALDH1A1KDM4EGAA
SCHEMBL4162660 0.82 F2 (0.46) GFERCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL2488752 0.82 ADRB1 (0.50) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL5074701 0.81 MAPT (0.69) GFERCYP1A2CYP3A4CYP2C19MAPT
Hydrochloric Acid SCHEMBL658863 0.81 NPC1 (0.56) GFERMAPTALDH1A1KDM4EGAA
SCHEMBL27113988 0.78 MAPT (0.48) GFERCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL27116041 0.78 F2 (0.46) GFERCYP1A2CYP3A4CYP2C19MAPT
Bicarbonate SCHEMBL3549893 0.78 MAPT (0.60) MAPTALDH1A1KDM4EGAAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GFER 3259/4885CYP1A2 3883/4885CYP3A4 3646/4885
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 GFER 4627/4885CYP1A2 3136/4885CYP3A4 3812/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 GFER 3259/4885CYP1A2 3883/4885CYP3A4 3646/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GFER 3259/4885CYP1A2 3883/4885CYP3A4 3646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.